EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34104 - 1-nitronaphthalene

ChEBI IDCHEBI:34104
ChEBI Name1-nitronaphthalene
Stars
DefinitionA mononitronaphthalene substituted by a nitro group at position 1.
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H7NO2
Net Charge0
Average Mass173.171
Monoisotopic Mass173.04768
SMILESO=[N+]([O-])c1cccc2ccccc12
InChIInChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyRJKGJBPXVHTNJL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-nitronaphthalene (CHEBI:34104) has role environmental contaminant (CHEBI:78298)
1-nitronaphthalene (CHEBI:34104) has role mouse metabolite (CHEBI:75771)
1-nitronaphthalene (CHEBI:34104) is a mononitronaphthalene (CHEBI:50632)
IUPAC Name 
1-nitronaphthalene
Synonyms  Source
1-NitronaphthaleneKEGG COMPOUND
NitrolChemIDplus
α-nitronaphthaleneNIST Chemistry WebBook
Manual XrefsDatabases
C14040KEGG COMPOUND
Registry NumbersSources
Reaxys:1867714Reaxys
CAS:86-57-7KEGG COMPOUND
CAS:86-57-7ChemIDplus
CAS:86-57-7NIST Chemistry WebBook
Citations